SCHEMBL25781203

SCHEMBL25781203

Cc1cnc2c(c1)c(C(=O)N1CC[C@H](C(=O)O)C1)c(CCCOCCc1cccc(Cl)c1)n2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.39
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ACSL1 P33121 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25781205 0.92 CYP4F2 (0.39) MCL1CYP4F2CYP4A11NOTUMADRB2
SCHEMBL25771786 0.86 OXER1 (0.38) MCL1CYP4F2CYP4A11NOTUMADRB2
SCHEMBL25773868 0.82 CCR5 (0.35) MCL1CYP4F2CYP4A11NOTUMADRB2
SCHEMBL25772194 0.82 RORC (0.38) MCL1CYP4F2CYP4A11S1PR1S1PR5
SCHEMBL25781207 0.82 CYP4F2 (0.37) MCL1CYP4F2CYP4A11NOTUMADRB2
SCHEMBL25780755 0.80 THRB (0.37) ADRB2THRB
SCHEMBL25771841 0.80 OXER1 (0.40) S1PR1S1PR5MEN1KMT2A
SCHEMBL25778127 0.79 ADRB3 (0.36) MCL1NOTUMADRB2
SCHEMBL25780884 0.78 OXER1 (0.51) —
SCHEMBL25780952 0.78 OXER1 (0.51) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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